1-benzyl-2-propylbenzimidazole

C17H18N2 — CID 764560

IUPAC1-benzyl-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2/c1-2-8-17-18-15-11-6-7-12-16(15)19(17)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3
InChIKeyYQFQEJQLYSKIEG-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.04
Rot. Bonds4

About 1-benzyl-2-propylbenzimidazole

1-benzyl-2-propylbenzimidazole (PubChem CID 764560) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-benzyl-2-propylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-propylbenzimidazole
PubChem CID764560
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-benzyl-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2/c1-2-8-17-18-15-11-6-7-12-16(15)19(17)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3
InChIKeyYQFQEJQLYSKIEG-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propylbenzimidazole?
The IUPAC name of 1-benzyl-2-propylbenzimidazole (CID 764560) is 1-benzyl-2-propylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-propylbenzimidazole?
The canonical SMILES for 1-benzyl-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propylbenzimidazole?
The InChIKey is YQFQEJQLYSKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-8-17-18-15-11-6-7-12-16(15)19(17)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3.
What are the key properties of 1-benzyl-2-propylbenzimidazole?
1-benzyl-2-propylbenzimidazole has a molecular weight of 250.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propylbenzimidazole is sourced from PubChem (CID 764560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).